(2E,7E)-2-(5-methoxy-2-methyl-4-propan-2-yl-phenyl)-6,6-dimethyl-8-(phenylsulfonyl)octa-2,7-dienenitrile

Systemtic Name: (2E,7E)-2-(5-methoxy-2-methyl-4-propan-2-yl-phenyl)-6,6-dimethyl-8-(phenylsulfonyl)octa-2,7-dienenitrile Openeye Name: (2E,7E)-8-(benzenesulfonyl)-2-(4-isopropyl-5-methoxy-2-methyl-phenyl)-6,6-dimethyl-octa-2,7-dienenitrile CAS Name: (2E,7E)-8-(benzenesulfonyl)-2-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-6,6-dimethylocta-2,7-dienenitrile IUPAC Name: (2E,7E)-8-(benzenesulfonyl)-2-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-6,6-dimethylocta-2,7-dienenitrile Traditional Name: (2E,7E)-8-besyl-2-(4-isopropyl-5-methoxy-2-methyl-phenyl)-6,6-dimethyl-octa-2,7-dienenitrile Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=CCCC(C)(C)C=CS(=O)(=O)C2=CC=CC=C2)C#N)OC)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1/C(=C\CCC(C)(C)/C=C/S(=O)(=O)C2=CC=CC=C2)/C#N)OC)C(C)C

InChI

InChI=1S/C27H33NO3S/c1-20(2)24-17-21(3)25(18-26(24)31-6)22(19-28)11-10-14-27(4,5)15-16-32(29,30)23-12-8-7-9-13-23/h7-9,11-13,15-18,20H,10,14H2,1-6H3/b16-15+,22-11-